CID 13993678

1-[4,9-dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone

Structural Information

Molecular Formula
C14H14N2OS2
SMILES
CC(=O)CC1C2=C(NC3=CC=CC=C32)SC(=N1)SC
InChI
InChI=1S/C14H14N2OS2/c1-8(17)7-11-12-9-5-3-4-6-10(9)15-13(12)19-14(16-11)18-2/h3-6,11,15H,7H2,1-2H3
InChIKey
YKKHSMWTSSXPSC-UHFFFAOYSA-N
Compound name
1-(2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indol-4-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

290.05475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06203 160.6
[M+Na]+ 313.04397 171.8
[M-H]- 289.04747 162.5
[M+NH4]+ 308.08857 178.4
[M+K]+ 329.01791 165.2
[M+H-H2O]+ 273.05201 155.4
[M+HCOO]- 335.05295 169.1
[M+CH3COO]- 349.06860 171.9
[M+Na-2H]- 311.02942 162.0
[M]+ 290.05420 165.0
[M]- 290.05530 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe